5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C14H16FN3O2S — CID 53185498

IUPAC5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H16FN3O2S/c1-2-21(19,20)18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyDXLXTRBLHURVLC-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.92
Rot. Bonds3

About 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185498) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185498
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H16FN3O2S/c1-2-21(19,20)18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyDXLXTRBLHURVLC-UHFFFAOYSA-N
XLogP1.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 6624522
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
3-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 7426764
3-(3-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 44383839
3-(4-Fluorophenyl)-1-hexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384100
3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384221
1h-Pyrazolo[4,3-c]pyridine,1-ethyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-,monomethanesulfonate
CID 44384530
1h-Pyrazolo[4,3-c]pyridine,1-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-,monomethanesulfonate
CID 44385042
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-,monomethanesulfonate
CID 44385297
4-Methylbenzenesulfonic acid;5-methyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44385346

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185498) is 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCS(=O)(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DXLXTRBLHURVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-21(19,20)18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 309.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).